USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 SER OG : rot 115:sc= -1.65 USER MOD Set 1.2: A 28 LYS NZ :NH3+ -159:sc= 0.159 (180deg=0.0504) USER MOD Set 2.1: A 3 LYS NZ :NH3+ 150:sc= 0.0927 (180deg=0) USER MOD Set 2.2: A 41 SER OG : rot -49:sc= -0.536 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0472 K(o=-0.047,f=-1.2) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0598 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.643 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot -69:sc= 0.439 USER MOD Single : A 23 ASN : amide:sc= -0.0569 X(o=-0.057,f=-0.003) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0.907 USER MOD Single : A 40 ASN : amide:sc= -3.67! C(o=-3.7!,f=-4.5!) USER MOD Single : A 42 ASN : amide:sc= -1.63 K(o=-1.6,f=-2.5!) USER MOD Single : A 43 ASN : amide:sc= -0.638 X(o=-0.64,f=-0.29) USER MOD Single : A 46 THR OG1 : rot -140:sc= -1.23 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.13) USER MOD Single : A 58 SER OG : rot 140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -0.305 -1.502 -0.576 1.00 61.04 N ATOM 2 CA LYS A 1 0.699 -1.150 -1.573 1.00 62.04 C ATOM 3 C LYS A 1 0.159 -1.354 -2.985 1.00 71.12 C ATOM 4 O LYS A 1 0.721 -2.116 -3.772 1.00 72.31 O ATOM 5 CB LYS A 1 1.963 -1.990 -1.373 1.00 52.31 C ATOM 6 CG LYS A 1 3.135 -1.539 -2.228 1.00 14.32 C ATOM 7 CD LYS A 1 4.320 -1.122 -1.373 1.00 62.35 C ATOM 8 CE LYS A 1 4.002 0.111 -0.542 1.00 44.34 C ATOM 9 NZ LYS A 1 5.073 1.141 -0.647 1.00 10.14 N ATOM 0 H1 LYS A 1 0.085 -1.355 0.377 1.00 61.04 H new ATOM 0 H2 LYS A 1 -1.145 -0.902 -0.702 1.00 61.04 H new ATOM 0 H3 LYS A 1 -0.573 -2.500 -0.690 1.00 61.04 H new ATOM 0 HA LYS A 1 0.946 -0.096 -1.446 1.00 62.04 H new ATOM 0 HB2 LYS A 1 2.253 -1.950 -0.323 1.00 52.31 H new ATOM 0 HB3 LYS A 1 1.737 -3.031 -1.602 1.00 52.31 H new ATOM 0 HG2 LYS A 1 3.433 -2.348 -2.895 1.00 14.32 H new ATOM 0 HG3 LYS A 1 2.827 -0.704 -2.858 1.00 14.32 H new ATOM 0 HD2 LYS A 1 4.601 -1.943 -0.714 1.00 62.35 H new ATOM 0 HD3 LYS A 1 5.178 -0.919 -2.013 1.00 62.35 H new ATOM 0 HE2 LYS A 1 3.055 0.537 -0.872 1.00 44.34 H new ATOM 0 HE3 LYS A 1 3.876 -0.177 0.502 1.00 44.34 H new ATOM 0 HZ1 LYS A 1 4.819 1.966 -0.067 1.00 10.14 H new ATOM 0 HZ2 LYS A 1 5.972 0.743 -0.308 1.00 10.14 H new ATOM 0 HZ3 LYS A 1 5.176 1.435 -1.639 1.00 10.14 H new ATOM 23 N LYS A 2 -0.934 -0.667 -3.301 1.00 21.34 N ATOM 24 CA LYS A 2 -1.549 -0.770 -4.618 1.00 72.45 C ATOM 25 C LYS A 2 -0.759 0.026 -5.652 1.00 2.13 C ATOM 26 O LYS A 2 -1.063 -0.010 -6.844 1.00 61.12 O ATOM 27 CB LYS A 2 -2.995 -0.270 -4.570 1.00 5.22 C ATOM 28 CG LYS A 2 -3.821 -0.681 -5.776 1.00 14.42 C ATOM 29 CD LYS A 2 -4.679 -1.899 -5.475 1.00 44.24 C ATOM 30 CE LYS A 2 -6.107 -1.710 -5.964 1.00 4.32 C ATOM 31 NZ LYS A 2 -6.222 -1.914 -7.434 1.00 65.44 N ATOM 0 H LYS A 2 -1.412 -0.032 -2.661 1.00 21.34 H new ATOM 0 HA LYS A 2 -1.544 -1.820 -4.912 1.00 72.45 H new ATOM 0 HB2 LYS A 2 -3.472 -0.650 -3.667 1.00 5.22 H new ATOM 0 HB3 LYS A 2 -2.992 0.817 -4.496 1.00 5.22 H new ATOM 0 HG2 LYS A 2 -4.459 0.148 -6.081 1.00 14.42 H new ATOM 0 HG3 LYS A 2 -3.159 -0.899 -6.614 1.00 14.42 H new ATOM 0 HD2 LYS A 2 -4.244 -2.778 -5.950 1.00 44.24 H new ATOM 0 HD3 LYS A 2 -4.683 -2.086 -4.401 1.00 44.24 H new ATOM 0 HE2 LYS A 2 -6.763 -2.411 -5.448 1.00 4.32 H new ATOM 0 HE3 LYS A 2 -6.448 -0.707 -5.709 1.00 4.32 H new ATOM 0 HZ1 LYS A 2 -7.210 -1.776 -7.727 1.00 65.44 H new ATOM 0 HZ2 LYS A 2 -5.615 -1.229 -7.928 1.00 65.44 H new ATOM 0 HZ3 LYS A 2 -5.921 -2.880 -7.675 1.00 65.44 H new ATOM 45 N LYS A 3 0.258 0.744 -5.187 1.00 62.01 N ATOM 46 CA LYS A 3 1.095 1.547 -6.071 1.00 11.44 C ATOM 47 C LYS A 3 1.727 0.683 -7.156 1.00 63.52 C ATOM 48 O LYS A 3 2.101 1.178 -8.220 1.00 32.11 O ATOM 49 CB LYS A 3 2.188 2.256 -5.267 1.00 33.22 C ATOM 50 CG LYS A 3 1.668 3.392 -4.403 1.00 73.02 C ATOM 51 CD LYS A 3 2.018 4.747 -4.994 1.00 52.25 C ATOM 52 CE LYS A 3 3.521 4.976 -5.013 1.00 24.24 C ATOM 53 NZ LYS A 3 3.870 6.394 -4.723 1.00 3.22 N ATOM 0 H LYS A 3 0.523 0.786 -4.203 1.00 62.01 H new ATOM 0 HA LYS A 3 0.462 2.294 -6.550 1.00 11.44 H new ATOM 0 HB2 LYS A 3 2.690 1.527 -4.631 1.00 33.22 H new ATOM 0 HB3 LYS A 3 2.937 2.648 -5.955 1.00 33.22 H new ATOM 0 HG2 LYS A 3 0.586 3.307 -4.301 1.00 73.02 H new ATOM 0 HG3 LYS A 3 2.090 3.311 -3.401 1.00 73.02 H new ATOM 0 HD2 LYS A 3 1.626 4.815 -6.009 1.00 52.25 H new ATOM 0 HD3 LYS A 3 1.536 5.534 -4.413 1.00 52.25 H new ATOM 0 HE2 LYS A 3 3.996 4.327 -4.277 1.00 24.24 H new ATOM 0 HE3 LYS A 3 3.919 4.696 -5.989 1.00 24.24 H new ATOM 0 HZ1 LYS A 3 4.798 6.434 -4.255 1.00 3.22 H new ATOM 0 HZ2 LYS A 3 3.908 6.931 -5.613 1.00 3.22 H new ATOM 0 HZ3 LYS A 3 3.149 6.808 -4.099 1.00 3.22 H new ATOM 67 N CYS A 4 1.843 -0.612 -6.882 1.00 25.42 N ATOM 68 CA CYS A 4 2.430 -1.547 -7.835 1.00 35.11 C ATOM 69 C CYS A 4 1.454 -1.851 -8.968 1.00 61.33 C ATOM 70 O CYS A 4 1.844 -2.375 -10.011 1.00 61.04 O ATOM 71 CB CYS A 4 2.829 -2.844 -7.129 1.00 70.41 C ATOM 72 SG CYS A 4 3.714 -4.028 -8.194 1.00 71.21 S ATOM 0 H CYS A 4 1.538 -1.038 -6.007 1.00 25.42 H new ATOM 0 HA CYS A 4 3.321 -1.084 -8.260 1.00 35.11 H new ATOM 0 HB2 CYS A 4 3.459 -2.600 -6.273 1.00 70.41 H new ATOM 0 HB3 CYS A 4 1.931 -3.323 -6.738 1.00 70.41 H new ATOM 77 N GLN A 5 0.185 -1.519 -8.755 1.00 2.42 N ATOM 78 CA GLN A 5 -0.846 -1.757 -9.758 1.00 43.32 C ATOM 79 C GLN A 5 -1.359 -0.441 -10.334 1.00 33.02 C ATOM 80 O GLN A 5 -2.476 -0.015 -10.036 1.00 2.43 O ATOM 81 CB GLN A 5 -2.005 -2.549 -9.151 1.00 10.50 C ATOM 82 CG GLN A 5 -1.569 -3.557 -8.100 1.00 42.23 C ATOM 83 CD GLN A 5 -2.617 -4.621 -7.842 1.00 30.01 C ATOM 84 OE1 GLN A 5 -3.703 -4.593 -8.422 1.00 63.22 O ATOM 85 NE2 GLN A 5 -2.297 -5.567 -6.967 1.00 71.41 N ATOM 0 H GLN A 5 -0.154 -1.084 -7.897 1.00 2.42 H new ATOM 0 HA GLN A 5 -0.403 -2.338 -10.567 1.00 43.32 H new ATOM 0 HB2 GLN A 5 -2.714 -1.853 -8.703 1.00 10.50 H new ATOM 0 HB3 GLN A 5 -2.533 -3.073 -9.948 1.00 10.50 H new ATOM 0 HG2 GLN A 5 -0.644 -4.034 -8.422 1.00 42.23 H new ATOM 0 HG3 GLN A 5 -1.351 -3.034 -7.169 1.00 42.23 H new ATOM 0 HE21 GLN A 5 -1.385 -5.551 -6.510 1.00 71.41 H new ATOM 0 HE22 GLN A 5 -2.963 -6.309 -6.752 1.00 71.41 H new ATOM 94 N LEU A 6 -0.538 0.198 -11.159 1.00 40.41 N ATOM 95 CA LEU A 6 -0.909 1.467 -11.777 1.00 20.20 C ATOM 96 C LEU A 6 -0.953 1.340 -13.296 1.00 53.14 C ATOM 97 O LEU A 6 -0.210 0.568 -13.901 1.00 63.44 O ATOM 98 CB LEU A 6 0.080 2.562 -11.374 1.00 24.42 C ATOM 99 CG LEU A 6 -0.232 3.302 -10.073 1.00 43.51 C ATOM 100 CD1 LEU A 6 -1.274 4.384 -10.312 1.00 5.42 C ATOM 101 CD2 LEU A 6 -0.707 2.328 -9.005 1.00 50.12 C ATOM 0 H LEU A 6 0.389 -0.141 -11.416 1.00 40.41 H new ATOM 0 HA LEU A 6 -1.904 1.737 -11.424 1.00 20.20 H new ATOM 0 HB2 LEU A 6 1.070 2.115 -11.286 1.00 24.42 H new ATOM 0 HB3 LEU A 6 0.131 3.293 -12.181 1.00 24.42 H new ATOM 0 HG LEU A 6 0.683 3.778 -9.720 1.00 43.51 H new ATOM 0 HD11 LEU A 6 -1.484 4.900 -9.375 1.00 5.42 H new ATOM 0 HD12 LEU A 6 -0.896 5.098 -11.043 1.00 5.42 H new ATOM 0 HD13 LEU A 6 -2.190 3.930 -10.689 1.00 5.42 H new ATOM 0 HD21 LEU A 6 -0.924 2.873 -8.086 1.00 50.12 H new ATOM 0 HD22 LEU A 6 -1.609 1.822 -9.349 1.00 50.12 H new ATOM 0 HD23 LEU A 6 0.072 1.590 -8.813 1.00 50.12 H new ATOM 113 N PRO A 7 -1.844 2.118 -13.929 1.00 73.55 N ATOM 114 CA PRO A 7 -2.005 2.112 -15.387 1.00 11.35 C ATOM 115 C PRO A 7 -0.810 2.730 -16.104 1.00 24.21 C ATOM 116 O PRO A 7 0.217 3.015 -15.487 1.00 51.12 O ATOM 117 CB PRO A 7 -3.259 2.962 -15.608 1.00 41.10 C ATOM 118 CG PRO A 7 -3.326 3.856 -14.418 1.00 61.30 C ATOM 119 CD PRO A 7 -2.763 3.062 -13.272 1.00 21.13 C ATOM 0 HA PRO A 7 -2.083 1.100 -15.785 1.00 11.35 H new ATOM 0 HB2 PRO A 7 -3.190 3.537 -16.531 1.00 41.10 H new ATOM 0 HB3 PRO A 7 -4.150 2.340 -15.686 1.00 41.10 H new ATOM 0 HG2 PRO A 7 -2.751 4.767 -14.581 1.00 61.30 H new ATOM 0 HG3 PRO A 7 -4.353 4.160 -14.215 1.00 61.30 H new ATOM 0 HD2 PRO A 7 -2.241 3.700 -12.559 1.00 21.13 H new ATOM 0 HD3 PRO A 7 -3.546 2.542 -12.720 1.00 21.13 H new ATOM 127 N SER A 8 -0.950 2.934 -17.410 1.00 3.22 N ATOM 128 CA SER A 8 0.121 3.515 -18.212 1.00 13.22 C ATOM 129 C SER A 8 -0.061 5.024 -18.349 1.00 24.24 C ATOM 130 O SER A 8 -1.031 5.592 -17.846 1.00 63.34 O ATOM 131 CB SER A 8 0.158 2.867 -19.597 1.00 62.10 C ATOM 132 OG SER A 8 -0.959 2.017 -19.793 1.00 24.34 O ATOM 0 H SER A 8 -1.794 2.706 -17.935 1.00 3.22 H new ATOM 0 HA SER A 8 1.066 3.325 -17.704 1.00 13.22 H new ATOM 0 HB2 SER A 8 0.168 3.641 -20.364 1.00 62.10 H new ATOM 0 HB3 SER A 8 1.079 2.294 -19.709 1.00 62.10 H new ATOM 0 HG SER A 8 -0.913 1.617 -20.686 1.00 24.34 H new ATOM 138 N ASP A 9 0.880 5.667 -19.032 1.00 21.44 N ATOM 139 CA ASP A 9 0.825 7.109 -19.236 1.00 41.54 C ATOM 140 C ASP A 9 1.985 7.579 -20.110 1.00 34.14 C ATOM 141 O ASP A 9 3.147 7.288 -19.826 1.00 73.51 O ATOM 142 CB ASP A 9 0.855 7.838 -17.892 1.00 41.41 C ATOM 143 CG ASP A 9 0.064 9.131 -17.917 1.00 12.31 C ATOM 144 OD1 ASP A 9 0.302 9.956 -18.825 1.00 34.44 O ATOM 145 OD2 ASP A 9 -0.794 9.318 -17.029 1.00 41.50 O ATOM 0 H ASP A 9 1.690 5.212 -19.453 1.00 21.44 H new ATOM 0 HA ASP A 9 -0.109 7.343 -19.746 1.00 41.54 H new ATOM 0 HB2 ASP A 9 0.453 7.184 -17.118 1.00 41.41 H new ATOM 0 HB3 ASP A 9 1.889 8.053 -17.622 1.00 41.41 H new ATOM 150 N VAL A 10 1.661 8.307 -21.174 1.00 34.33 N ATOM 151 CA VAL A 10 2.675 8.817 -22.089 1.00 32.43 C ATOM 152 C VAL A 10 3.077 10.241 -21.725 1.00 11.43 C ATOM 153 O VAL A 10 4.252 10.600 -21.783 1.00 23.02 O ATOM 154 CB VAL A 10 2.179 8.792 -23.547 1.00 32.53 C ATOM 155 CG1 VAL A 10 0.967 9.695 -23.714 1.00 51.23 C ATOM 156 CG2 VAL A 10 3.295 9.201 -24.496 1.00 11.22 C ATOM 0 H VAL A 10 0.704 8.557 -21.423 1.00 34.33 H new ATOM 0 HA VAL A 10 3.542 8.163 -21.997 1.00 32.43 H new ATOM 0 HB VAL A 10 1.879 7.773 -23.794 1.00 32.53 H new ATOM 0 HG11 VAL A 10 0.631 9.665 -24.750 1.00 51.23 H new ATOM 0 HG12 VAL A 10 0.164 9.351 -23.062 1.00 51.23 H new ATOM 0 HG13 VAL A 10 1.236 10.718 -23.450 1.00 51.23 H new ATOM 0 HG21 VAL A 10 2.927 9.178 -25.522 1.00 11.22 H new ATOM 0 HG22 VAL A 10 3.628 10.210 -24.253 1.00 11.22 H new ATOM 0 HG23 VAL A 10 4.131 8.509 -24.395 1.00 11.22 H new ATOM 166 N GLY A 11 2.091 11.051 -21.348 1.00 65.11 N ATOM 167 CA GLY A 11 2.363 12.428 -20.979 1.00 53.04 C ATOM 168 C GLY A 11 2.188 13.385 -22.142 1.00 71.31 C ATOM 169 O GLY A 11 2.432 13.025 -23.294 1.00 43.41 O ATOM 0 H GLY A 11 1.110 10.778 -21.292 1.00 65.11 H new ATOM 0 HA2 GLY A 11 1.697 12.722 -20.167 1.00 53.04 H new ATOM 0 HA3 GLY A 11 3.382 12.505 -20.599 1.00 53.04 H new ATOM 173 N LYS A 12 1.762 14.607 -21.842 1.00 30.14 N ATOM 174 CA LYS A 12 1.554 15.619 -22.870 1.00 14.41 C ATOM 175 C LYS A 12 2.822 16.437 -23.094 1.00 20.51 C ATOM 176 O LYS A 12 2.988 17.070 -24.136 1.00 24.55 O ATOM 177 CB LYS A 12 0.400 16.545 -22.477 1.00 5.43 C ATOM 178 CG LYS A 12 -0.960 16.053 -22.939 1.00 21.10 C ATOM 179 CD LYS A 12 -0.999 15.854 -24.445 1.00 24.41 C ATOM 180 CE LYS A 12 -2.425 15.708 -24.951 1.00 74.03 C ATOM 181 NZ LYS A 12 -2.966 14.343 -24.702 1.00 61.11 N ATOM 0 H LYS A 12 1.554 14.921 -20.894 1.00 30.14 H new ATOM 0 HA LYS A 12 1.303 15.109 -23.800 1.00 14.41 H new ATOM 0 HB2 LYS A 12 0.388 16.656 -21.393 1.00 5.43 H new ATOM 0 HB3 LYS A 12 0.581 17.535 -22.897 1.00 5.43 H new ATOM 0 HG2 LYS A 12 -1.196 15.113 -22.441 1.00 21.10 H new ATOM 0 HG3 LYS A 12 -1.726 16.771 -22.646 1.00 21.10 H new ATOM 0 HD2 LYS A 12 -0.522 16.701 -24.937 1.00 24.41 H new ATOM 0 HD3 LYS A 12 -0.425 14.966 -24.711 1.00 24.41 H new ATOM 0 HE2 LYS A 12 -3.061 16.445 -24.461 1.00 74.03 H new ATOM 0 HE3 LYS A 12 -2.455 15.921 -26.020 1.00 74.03 H new ATOM 0 HZ1 LYS A 12 -3.940 14.285 -25.062 1.00 61.11 H new ATOM 0 HZ2 LYS A 12 -2.374 13.641 -25.190 1.00 61.11 H new ATOM 0 HZ3 LYS A 12 -2.962 14.149 -23.680 1.00 61.11 H new ATOM 195 N GLY A 13 3.715 16.417 -22.109 1.00 62.41 N ATOM 196 CA GLY A 13 4.958 17.158 -22.219 1.00 53.44 C ATOM 197 C GLY A 13 5.834 16.657 -23.350 1.00 54.45 C ATOM 198 O GLY A 13 5.333 16.183 -24.370 1.00 61.52 O ATOM 0 H GLY A 13 3.600 15.901 -21.237 1.00 62.41 H new ATOM 0 HA2 GLY A 13 4.735 18.213 -22.376 1.00 53.44 H new ATOM 0 HA3 GLY A 13 5.506 17.084 -21.279 1.00 53.44 H new ATOM 202 N LYS A 14 7.146 16.764 -23.172 1.00 51.33 N ATOM 203 CA LYS A 14 8.095 16.319 -24.186 1.00 10.03 C ATOM 204 C LYS A 14 8.454 14.850 -23.987 1.00 31.11 C ATOM 205 O LYS A 14 9.594 14.445 -24.209 1.00 24.55 O ATOM 206 CB LYS A 14 9.362 17.176 -24.138 1.00 63.54 C ATOM 207 CG LYS A 14 9.151 18.601 -24.617 1.00 40.42 C ATOM 208 CD LYS A 14 8.702 19.509 -23.485 1.00 12.24 C ATOM 209 CE LYS A 14 8.721 20.972 -23.901 1.00 61.25 C ATOM 210 NZ LYS A 14 9.790 21.735 -23.199 1.00 71.31 N ATOM 0 H LYS A 14 7.577 17.155 -22.334 1.00 51.33 H new ATOM 0 HA LYS A 14 7.625 16.431 -25.163 1.00 10.03 H new ATOM 0 HB2 LYS A 14 9.737 17.197 -23.115 1.00 63.54 H new ATOM 0 HB3 LYS A 14 10.132 16.706 -24.750 1.00 63.54 H new ATOM 0 HG2 LYS A 14 10.078 18.983 -25.045 1.00 40.42 H new ATOM 0 HG3 LYS A 14 8.405 18.612 -25.411 1.00 40.42 H new ATOM 0 HD2 LYS A 14 7.695 19.232 -23.173 1.00 12.24 H new ATOM 0 HD3 LYS A 14 9.354 19.367 -22.623 1.00 12.24 H new ATOM 0 HE2 LYS A 14 8.873 21.041 -24.978 1.00 61.25 H new ATOM 0 HE3 LYS A 14 7.752 21.423 -23.686 1.00 61.25 H new ATOM 0 HZ1 LYS A 14 9.770 22.727 -23.510 1.00 71.31 H new ATOM 0 HZ2 LYS A 14 9.631 21.691 -22.172 1.00 71.31 H new ATOM 0 HZ3 LYS A 14 10.717 21.321 -23.424 1.00 71.31 H new ATOM 224 N ALA A 15 7.472 14.057 -23.569 1.00 65.03 N ATOM 225 CA ALA A 15 7.685 12.633 -23.345 1.00 34.55 C ATOM 226 C ALA A 15 8.516 12.018 -24.465 1.00 70.33 C ATOM 227 O ALA A 15 8.279 12.283 -25.644 1.00 20.42 O ATOM 228 CB ALA A 15 6.350 11.913 -23.220 1.00 14.44 C ATOM 0 H ALA A 15 6.522 14.377 -23.379 1.00 65.03 H new ATOM 0 HA ALA A 15 8.238 12.517 -22.413 1.00 34.55 H new ATOM 0 HB1 ALA A 15 6.524 10.850 -23.053 1.00 14.44 H new ATOM 0 HB2 ALA A 15 5.791 12.326 -22.380 1.00 14.44 H new ATOM 0 HB3 ALA A 15 5.777 12.047 -24.138 1.00 14.44 H new ATOM 234 N SER A 16 9.491 11.196 -24.090 1.00 43.21 N ATOM 235 CA SER A 16 10.361 10.547 -25.064 1.00 41.21 C ATOM 236 C SER A 16 11.380 9.649 -24.369 1.00 72.01 C ATOM 237 O SER A 16 12.510 9.497 -24.834 1.00 74.30 O ATOM 238 CB SER A 16 11.083 11.595 -25.913 1.00 4.44 C ATOM 239 OG SER A 16 11.157 11.191 -27.269 1.00 3.12 O ATOM 0 H SER A 16 9.698 10.964 -23.119 1.00 43.21 H new ATOM 0 HA SER A 16 9.741 9.929 -25.713 1.00 41.21 H new ATOM 0 HB2 SER A 16 10.559 12.548 -25.843 1.00 4.44 H new ATOM 0 HB3 SER A 16 12.088 11.754 -25.522 1.00 4.44 H new ATOM 0 HG SER A 16 11.621 11.879 -27.790 1.00 3.12 H new ATOM 245 N PHE A 17 10.972 9.056 -23.252 1.00 75.01 N ATOM 246 CA PHE A 17 11.848 8.173 -22.491 1.00 12.20 C ATOM 247 C PHE A 17 11.093 6.936 -22.015 1.00 33.40 C ATOM 248 O PHE A 17 9.953 7.027 -21.557 1.00 22.33 O ATOM 249 CB PHE A 17 12.439 8.917 -21.291 1.00 72.34 C ATOM 250 CG PHE A 17 13.707 8.302 -20.771 1.00 15.35 C ATOM 251 CD1 PHE A 17 13.688 7.062 -20.153 1.00 2.33 C ATOM 252 CD2 PHE A 17 14.917 8.965 -20.898 1.00 54.23 C ATOM 253 CE1 PHE A 17 14.853 6.494 -19.673 1.00 21.14 C ATOM 254 CE2 PHE A 17 16.085 8.402 -20.421 1.00 34.34 C ATOM 255 CZ PHE A 17 16.053 7.165 -19.806 1.00 13.11 C ATOM 0 H PHE A 17 10.040 9.171 -22.854 1.00 75.01 H new ATOM 0 HA PHE A 17 12.658 7.853 -23.146 1.00 12.20 H new ATOM 0 HB2 PHE A 17 12.636 9.951 -21.575 1.00 72.34 H new ATOM 0 HB3 PHE A 17 11.701 8.942 -20.489 1.00 72.34 H new ATOM 0 HD1 PHE A 17 12.752 6.533 -20.045 1.00 2.33 H new ATOM 0 HD2 PHE A 17 14.947 9.933 -21.375 1.00 54.23 H new ATOM 0 HE1 PHE A 17 14.825 5.526 -19.194 1.00 21.14 H new ATOM 0 HE2 PHE A 17 17.022 8.928 -20.529 1.00 34.34 H new ATOM 0 HZ PHE A 17 16.964 6.724 -19.430 1.00 13.11 H new ATOM 265 N THR A 18 11.736 5.777 -22.127 1.00 52.54 N ATOM 266 CA THR A 18 11.126 4.521 -21.711 1.00 10.01 C ATOM 267 C THR A 18 11.445 4.212 -20.253 1.00 21.23 C ATOM 268 O THR A 18 12.603 4.260 -19.837 1.00 71.32 O ATOM 269 CB THR A 18 11.601 3.348 -22.589 1.00 23.24 C ATOM 270 OG1 THR A 18 11.086 2.113 -22.077 1.00 44.41 O ATOM 271 CG2 THR A 18 13.121 3.288 -22.636 1.00 54.52 C ATOM 0 H THR A 18 12.680 5.683 -22.503 1.00 52.54 H new ATOM 0 HA THR A 18 10.049 4.639 -21.827 1.00 10.01 H new ATOM 0 HB THR A 18 11.228 3.506 -23.601 1.00 23.24 H new ATOM 0 HG1 THR A 18 11.391 1.372 -22.642 1.00 44.41 H new ATOM 0 HG21 THR A 18 13.433 2.452 -23.262 1.00 54.52 H new ATOM 0 HG22 THR A 18 13.509 4.218 -23.052 1.00 54.52 H new ATOM 0 HG23 THR A 18 13.511 3.152 -21.627 1.00 54.52 H new ATOM 279 N ARG A 19 10.411 3.894 -19.480 1.00 64.12 N ATOM 280 CA ARG A 19 10.582 3.577 -18.067 1.00 44.05 C ATOM 281 C ARG A 19 10.025 2.193 -17.749 1.00 72.24 C ATOM 282 O ARG A 19 9.149 1.689 -18.453 1.00 32.44 O ATOM 283 CB ARG A 19 9.890 4.629 -17.199 1.00 51.35 C ATOM 284 CG ARG A 19 10.021 6.045 -17.737 1.00 61.25 C ATOM 285 CD ARG A 19 11.437 6.575 -17.571 1.00 73.14 C ATOM 286 NE ARG A 19 11.526 8.002 -17.871 1.00 74.50 N ATOM 287 CZ ARG A 19 10.997 8.948 -17.104 1.00 33.05 C ATOM 288 NH1 ARG A 19 10.345 8.621 -15.996 1.00 70.02 N ATOM 289 NH2 ARG A 19 11.120 10.225 -17.443 1.00 73.10 N ATOM 0 H ARG A 19 9.446 3.849 -19.809 1.00 64.12 H new ATOM 0 HA ARG A 19 11.649 3.579 -17.847 1.00 44.05 H new ATOM 0 HB2 ARG A 19 8.833 4.378 -17.113 1.00 51.35 H new ATOM 0 HB3 ARG A 19 10.309 4.591 -16.194 1.00 51.35 H new ATOM 0 HG2 ARG A 19 9.746 6.062 -18.792 1.00 61.25 H new ATOM 0 HG3 ARG A 19 9.323 6.700 -17.215 1.00 61.25 H new ATOM 0 HD2 ARG A 19 11.773 6.398 -16.549 1.00 73.14 H new ATOM 0 HD3 ARG A 19 12.110 6.024 -18.228 1.00 73.14 H new ATOM 0 HE ARG A 19 12.022 8.287 -18.716 1.00 74.50 H new ATOM 0 HH11 ARG A 19 10.249 7.641 -15.731 1.00 70.02 H new ATOM 0 HH12 ARG A 19 9.940 9.350 -15.409 1.00 70.02 H new ATOM 0 HH21 ARG A 19 11.621 10.481 -18.294 1.00 73.10 H new ATOM 0 HH22 ARG A 19 10.713 10.951 -16.853 1.00 73.10 H new ATOM 303 N TYR A 20 10.539 1.584 -16.687 1.00 35.25 N ATOM 304 CA TYR A 20 10.094 0.257 -16.277 1.00 24.20 C ATOM 305 C TYR A 20 8.998 0.351 -15.220 1.00 5.33 C ATOM 306 O TYR A 20 8.991 1.268 -14.397 1.00 74.35 O ATOM 307 CB TYR A 20 11.273 -0.554 -15.735 1.00 11.31 C ATOM 308 CG TYR A 20 12.269 -0.959 -16.798 1.00 33.42 C ATOM 309 CD1 TYR A 20 13.032 -0.007 -17.462 1.00 2.02 C ATOM 310 CD2 TYR A 20 12.446 -2.295 -17.139 1.00 14.51 C ATOM 311 CE1 TYR A 20 13.943 -0.373 -18.434 1.00 52.33 C ATOM 312 CE2 TYR A 20 13.355 -2.670 -18.109 1.00 12.51 C ATOM 313 CZ TYR A 20 14.101 -1.705 -18.754 1.00 32.22 C ATOM 314 OH TYR A 20 15.007 -2.075 -19.722 1.00 14.43 O ATOM 0 H TYR A 20 11.264 1.988 -16.094 1.00 35.25 H new ATOM 0 HA TYR A 20 9.686 -0.248 -17.153 1.00 24.20 H new ATOM 0 HB2 TYR A 20 11.786 0.032 -14.973 1.00 11.31 H new ATOM 0 HB3 TYR A 20 10.892 -1.450 -15.245 1.00 11.31 H new ATOM 0 HD1 TYR A 20 12.911 1.037 -17.214 1.00 2.02 H new ATOM 0 HD2 TYR A 20 11.863 -3.053 -16.637 1.00 14.51 H new ATOM 0 HE1 TYR A 20 14.528 0.380 -18.941 1.00 52.33 H new ATOM 0 HE2 TYR A 20 13.481 -3.713 -18.361 1.00 12.51 H new ATOM 0 HH TYR A 20 14.996 -3.049 -19.825 1.00 14.43 H new ATOM 324 N TYR A 21 8.075 -0.603 -15.248 1.00 20.12 N ATOM 325 CA TYR A 21 6.973 -0.628 -14.294 1.00 34.12 C ATOM 326 C TYR A 21 6.540 -2.061 -13.999 1.00 33.00 C ATOM 327 O TYR A 21 6.401 -2.879 -14.908 1.00 74.25 O ATOM 328 CB TYR A 21 5.787 0.174 -14.832 1.00 14.32 C ATOM 329 CG TYR A 21 5.301 -0.296 -16.184 1.00 73.31 C ATOM 330 CD1 TYR A 21 4.323 -1.277 -16.290 1.00 74.31 C ATOM 331 CD2 TYR A 21 5.819 0.241 -17.356 1.00 3.01 C ATOM 332 CE1 TYR A 21 3.876 -1.711 -17.524 1.00 4.45 C ATOM 333 CE2 TYR A 21 5.378 -0.185 -18.594 1.00 30.23 C ATOM 334 CZ TYR A 21 4.407 -1.162 -18.672 1.00 51.53 C ATOM 335 OH TYR A 21 3.964 -1.590 -19.903 1.00 10.42 O ATOM 0 H TYR A 21 8.068 -1.369 -15.921 1.00 20.12 H new ATOM 0 HA TYR A 21 7.319 -0.174 -13.366 1.00 34.12 H new ATOM 0 HB2 TYR A 21 4.965 0.114 -14.119 1.00 14.32 H new ATOM 0 HB3 TYR A 21 6.071 1.224 -14.902 1.00 14.32 H new ATOM 0 HD1 TYR A 21 3.905 -1.708 -15.393 1.00 74.31 H new ATOM 0 HD2 TYR A 21 6.580 1.005 -17.298 1.00 3.01 H new ATOM 0 HE1 TYR A 21 3.116 -2.475 -17.589 1.00 4.45 H new ATOM 0 HE2 TYR A 21 5.791 0.244 -19.495 1.00 30.23 H new ATOM 0 HH TYR A 21 4.438 -1.103 -20.609 1.00 10.42 H new ATOM 345 N TYR A 22 6.328 -2.357 -12.721 1.00 52.25 N ATOM 346 CA TYR A 22 5.912 -3.691 -12.305 1.00 3.24 C ATOM 347 C TYR A 22 4.398 -3.760 -12.130 1.00 62.24 C ATOM 348 O TYR A 22 3.770 -2.803 -11.681 1.00 34.34 O ATOM 349 CB TYR A 22 6.606 -4.078 -10.997 1.00 75.43 C ATOM 350 CG TYR A 22 6.802 -5.569 -10.835 1.00 15.23 C ATOM 351 CD1 TYR A 22 7.945 -6.196 -11.315 1.00 15.21 C ATOM 352 CD2 TYR A 22 5.844 -6.350 -10.200 1.00 13.14 C ATOM 353 CE1 TYR A 22 8.127 -7.557 -11.169 1.00 62.21 C ATOM 354 CE2 TYR A 22 6.019 -7.712 -10.048 1.00 54.10 C ATOM 355 CZ TYR A 22 7.162 -8.311 -10.535 1.00 13.11 C ATOM 356 OH TYR A 22 7.341 -9.667 -10.386 1.00 74.24 O ATOM 0 H TYR A 22 6.437 -1.691 -11.956 1.00 52.25 H new ATOM 0 HA TYR A 22 6.201 -4.395 -13.085 1.00 3.24 H new ATOM 0 HB2 TYR A 22 7.577 -3.585 -10.951 1.00 75.43 H new ATOM 0 HB3 TYR A 22 6.018 -3.704 -10.159 1.00 75.43 H new ATOM 0 HD1 TYR A 22 8.704 -5.609 -11.811 1.00 15.21 H new ATOM 0 HD2 TYR A 22 4.947 -5.884 -9.819 1.00 13.14 H new ATOM 0 HE1 TYR A 22 9.021 -8.029 -11.550 1.00 62.21 H new ATOM 0 HE2 TYR A 22 5.265 -8.304 -9.551 1.00 54.10 H new ATOM 0 HH TYR A 22 7.281 -10.103 -11.262 1.00 74.24 H new ATOM 366 N ASN A 23 3.820 -4.901 -12.490 1.00 74.40 N ATOM 367 CA ASN A 23 2.379 -5.098 -12.374 1.00 1.20 C ATOM 368 C ASN A 23 2.064 -6.432 -11.705 1.00 61.54 C ATOM 369 O ASN A 23 2.833 -7.387 -11.811 1.00 63.12 O ATOM 370 CB ASN A 23 1.723 -5.039 -13.755 1.00 15.33 C ATOM 371 CG ASN A 23 2.690 -5.384 -14.870 1.00 60.23 C ATOM 372 OD1 ASN A 23 3.303 -4.501 -15.471 1.00 23.54 O ATOM 373 ND2 ASN A 23 2.831 -6.674 -15.153 1.00 34.00 N ATOM 0 H ASN A 23 4.327 -5.703 -12.864 1.00 74.40 H new ATOM 0 HA ASN A 23 1.977 -4.297 -11.753 1.00 1.20 H new ATOM 0 HB2 ASN A 23 0.879 -5.729 -13.783 1.00 15.33 H new ATOM 0 HB3 ASN A 23 1.323 -4.039 -13.922 1.00 15.33 H new ATOM 0 HD21 ASN A 23 3.467 -6.967 -15.894 1.00 34.00 H new ATOM 0 HD22 ASN A 23 2.303 -7.372 -14.629 1.00 34.00 H new ATOM 380 N GLU A 24 0.928 -6.490 -11.018 1.00 32.21 N ATOM 381 CA GLU A 24 0.512 -7.708 -10.332 1.00 53.01 C ATOM 382 C GLU A 24 -0.273 -8.620 -11.271 1.00 15.33 C ATOM 383 O GLU A 24 -0.131 -8.542 -12.490 1.00 41.14 O ATOM 384 CB GLU A 24 -0.339 -7.365 -9.107 1.00 44.22 C ATOM 385 CG GLU A 24 -0.012 -8.206 -7.885 1.00 1.24 C ATOM 386 CD GLU A 24 1.357 -7.894 -7.311 1.00 33.12 C ATOM 387 OE1 GLU A 24 2.364 -8.291 -7.933 1.00 4.11 O ATOM 388 OE2 GLU A 24 1.420 -7.254 -6.241 1.00 23.35 O ATOM 0 H GLU A 24 0.279 -5.709 -10.921 1.00 32.21 H new ATOM 0 HA GLU A 24 1.409 -8.235 -10.006 1.00 53.01 H new ATOM 0 HB2 GLU A 24 -0.199 -6.312 -8.861 1.00 44.22 H new ATOM 0 HB3 GLU A 24 -1.392 -7.497 -9.358 1.00 44.22 H new ATOM 0 HG2 GLU A 24 -0.770 -8.038 -7.120 1.00 1.24 H new ATOM 0 HG3 GLU A 24 -0.058 -9.262 -8.152 1.00 1.24 H new ATOM 395 N GLU A 25 -1.102 -9.483 -10.692 1.00 22.34 N ATOM 396 CA GLU A 25 -1.908 -10.411 -11.476 1.00 53.22 C ATOM 397 C GLU A 25 -1.024 -11.421 -12.202 1.00 33.24 C ATOM 398 O GLU A 25 -1.493 -12.167 -13.062 1.00 24.14 O ATOM 399 CB GLU A 25 -2.765 -9.647 -12.488 1.00 44.42 C ATOM 400 CG GLU A 25 -4.254 -9.915 -12.351 1.00 62.44 C ATOM 401 CD GLU A 25 -5.063 -9.304 -13.479 1.00 21.40 C ATOM 402 OE1 GLU A 25 -4.449 -8.807 -14.447 1.00 34.13 O ATOM 403 OE2 GLU A 25 -6.308 -9.323 -13.394 1.00 14.00 O ATOM 0 H GLU A 25 -1.233 -9.559 -9.683 1.00 22.34 H new ATOM 0 HA GLU A 25 -2.561 -10.952 -10.792 1.00 53.22 H new ATOM 0 HB2 GLU A 25 -2.585 -8.578 -12.371 1.00 44.42 H new ATOM 0 HB3 GLU A 25 -2.448 -9.915 -13.496 1.00 44.42 H new ATOM 0 HG2 GLU A 25 -4.425 -10.991 -12.328 1.00 62.44 H new ATOM 0 HG3 GLU A 25 -4.605 -9.516 -11.399 1.00 62.44 H new ATOM 410 N SER A 26 0.257 -11.439 -11.848 1.00 50.33 N ATOM 411 CA SER A 26 1.208 -12.354 -12.468 1.00 44.30 C ATOM 412 C SER A 26 2.630 -12.056 -12.003 1.00 25.15 C ATOM 413 O SER A 26 3.490 -12.937 -11.993 1.00 14.40 O ATOM 414 CB SER A 26 1.127 -12.252 -13.992 1.00 71.34 C ATOM 415 OG SER A 26 2.305 -12.754 -14.600 1.00 54.35 O ATOM 0 H SER A 26 0.660 -10.831 -11.135 1.00 50.33 H new ATOM 0 HA SER A 26 0.949 -13.368 -12.164 1.00 44.30 H new ATOM 0 HB2 SER A 26 0.262 -12.810 -14.352 1.00 71.34 H new ATOM 0 HB3 SER A 26 0.979 -11.212 -14.283 1.00 71.34 H new ATOM 0 HG SER A 26 2.088 -13.553 -15.124 1.00 54.35 H new ATOM 421 N GLY A 27 2.871 -10.807 -11.617 1.00 10.44 N ATOM 422 CA GLY A 27 4.190 -10.413 -11.155 1.00 74.51 C ATOM 423 C GLY A 27 5.180 -10.261 -12.292 1.00 61.03 C ATOM 424 O GLY A 27 6.209 -10.936 -12.324 1.00 45.22 O ATOM 0 H GLY A 27 2.176 -10.060 -11.616 1.00 10.44 H new ATOM 0 HA2 GLY A 27 4.115 -9.470 -10.614 1.00 74.51 H new ATOM 0 HA3 GLY A 27 4.562 -11.157 -10.450 1.00 74.51 H new ATOM 428 N LYS A 28 4.869 -9.373 -13.230 1.00 44.15 N ATOM 429 CA LYS A 28 5.739 -9.133 -14.376 1.00 70.30 C ATOM 430 C LYS A 28 6.089 -7.653 -14.493 1.00 72.24 C ATOM 431 O LYS A 28 5.447 -6.802 -13.877 1.00 74.31 O ATOM 432 CB LYS A 28 5.065 -9.612 -15.663 1.00 74.55 C ATOM 433 CG LYS A 28 4.381 -10.962 -15.526 1.00 40.12 C ATOM 434 CD LYS A 28 5.379 -12.062 -15.205 1.00 34.11 C ATOM 435 CE LYS A 28 4.896 -13.415 -15.705 1.00 62.20 C ATOM 436 NZ LYS A 28 4.742 -14.394 -14.594 1.00 31.42 N ATOM 0 H LYS A 28 4.020 -8.807 -13.219 1.00 44.15 H new ATOM 0 HA LYS A 28 6.661 -9.695 -14.225 1.00 70.30 H new ATOM 0 HB2 LYS A 28 4.329 -8.871 -15.975 1.00 74.55 H new ATOM 0 HB3 LYS A 28 5.812 -9.671 -16.454 1.00 74.55 H new ATOM 0 HG2 LYS A 28 3.628 -10.911 -14.739 1.00 40.12 H new ATOM 0 HG3 LYS A 28 3.859 -11.202 -16.452 1.00 40.12 H new ATOM 0 HD2 LYS A 28 6.341 -11.827 -15.661 1.00 34.11 H new ATOM 0 HD3 LYS A 28 5.539 -12.107 -14.128 1.00 34.11 H new ATOM 0 HE2 LYS A 28 3.941 -13.293 -16.217 1.00 62.20 H new ATOM 0 HE3 LYS A 28 5.603 -13.805 -16.437 1.00 62.20 H new ATOM 0 HZ1 LYS A 28 4.764 -15.360 -14.977 1.00 31.42 H new ATOM 0 HZ2 LYS A 28 5.520 -14.273 -13.914 1.00 31.42 H new ATOM 0 HZ3 LYS A 28 3.834 -14.233 -14.113 1.00 31.42 H new ATOM 450 N CYS A 29 7.110 -7.352 -15.289 1.00 74.51 N ATOM 451 CA CYS A 29 7.544 -5.975 -15.489 1.00 25.44 C ATOM 452 C CYS A 29 7.668 -5.654 -16.975 1.00 53.22 C ATOM 453 O CYS A 29 8.106 -6.488 -17.766 1.00 71.31 O ATOM 454 CB CYS A 29 8.885 -5.736 -14.791 1.00 12.41 C ATOM 455 SG CYS A 29 9.435 -3.999 -14.815 1.00 24.21 S ATOM 0 H CYS A 29 7.652 -8.044 -15.806 1.00 74.51 H new ATOM 0 HA CYS A 29 6.792 -5.316 -15.055 1.00 25.44 H new ATOM 0 HB2 CYS A 29 8.808 -6.068 -13.755 1.00 12.41 H new ATOM 0 HB3 CYS A 29 9.646 -6.354 -15.268 1.00 12.41 H new ATOM 460 N GLU A 30 7.278 -4.438 -17.346 1.00 61.24 N ATOM 461 CA GLU A 30 7.345 -4.007 -18.738 1.00 34.02 C ATOM 462 C GLU A 30 7.965 -2.617 -18.848 1.00 22.34 C ATOM 463 O GLU A 30 8.392 -2.034 -17.850 1.00 70.04 O ATOM 464 CB GLU A 30 5.947 -4.004 -19.361 1.00 64.45 C ATOM 465 CG GLU A 30 5.471 -5.381 -19.793 1.00 33.35 C ATOM 466 CD GLU A 30 6.151 -5.864 -21.059 1.00 33.01 C ATOM 467 OE1 GLU A 30 5.905 -5.269 -22.129 1.00 33.31 O ATOM 468 OE2 GLU A 30 6.930 -6.837 -20.979 1.00 74.13 O ATOM 0 H GLU A 30 6.913 -3.735 -16.703 1.00 61.24 H new ATOM 0 HA GLU A 30 7.976 -4.711 -19.280 1.00 34.02 H new ATOM 0 HB2 GLU A 30 5.239 -3.593 -18.642 1.00 64.45 H new ATOM 0 HB3 GLU A 30 5.945 -3.340 -20.226 1.00 64.45 H new ATOM 0 HG2 GLU A 30 5.658 -6.094 -18.990 1.00 33.35 H new ATOM 0 HG3 GLU A 30 4.393 -5.355 -19.952 1.00 33.35 H new ATOM 475 N THR A 31 8.013 -2.092 -20.068 1.00 12.52 N ATOM 476 CA THR A 31 8.582 -0.772 -20.310 1.00 2.01 C ATOM 477 C THR A 31 7.681 0.058 -21.217 1.00 70.21 C ATOM 478 O THR A 31 7.161 -0.440 -22.216 1.00 33.23 O ATOM 479 CB THR A 31 9.981 -0.872 -20.947 1.00 51.12 C ATOM 480 OG1 THR A 31 9.917 -1.645 -22.151 1.00 32.44 O ATOM 481 CG2 THR A 31 10.971 -1.507 -19.982 1.00 41.25 C ATOM 0 H THR A 31 7.665 -2.561 -20.904 1.00 12.52 H new ATOM 0 HA THR A 31 8.666 -0.282 -19.340 1.00 2.01 H new ATOM 0 HB THR A 31 10.322 0.136 -21.181 1.00 51.12 H new ATOM 0 HG1 THR A 31 10.810 -1.702 -22.551 1.00 32.44 H new ATOM 0 HG21 THR A 31 11.952 -1.567 -20.454 1.00 41.25 H new ATOM 0 HG22 THR A 31 11.039 -0.900 -19.079 1.00 41.25 H new ATOM 0 HG23 THR A 31 10.632 -2.509 -19.721 1.00 41.25 H new ATOM 489 N PHE A 32 7.501 1.326 -20.864 1.00 55.22 N ATOM 490 CA PHE A 32 6.661 2.226 -21.647 1.00 62.42 C ATOM 491 C PHE A 32 7.265 3.626 -21.699 1.00 62.10 C ATOM 492 O PHE A 32 8.087 3.990 -20.858 1.00 4.12 O ATOM 493 CB PHE A 32 5.252 2.287 -21.055 1.00 11.54 C ATOM 494 CG PHE A 32 4.297 3.119 -21.864 1.00 24.54 C ATOM 495 CD1 PHE A 32 3.666 2.586 -22.976 1.00 40.31 C ATOM 496 CD2 PHE A 32 4.032 4.432 -21.512 1.00 1.23 C ATOM 497 CE1 PHE A 32 2.787 3.348 -23.723 1.00 12.25 C ATOM 498 CE2 PHE A 32 3.154 5.199 -22.254 1.00 34.41 C ATOM 499 CZ PHE A 32 2.531 4.656 -23.361 1.00 42.44 C ATOM 0 H PHE A 32 7.925 1.754 -20.041 1.00 55.22 H new ATOM 0 HA PHE A 32 6.603 1.837 -22.663 1.00 62.42 H new ATOM 0 HB2 PHE A 32 4.858 1.274 -20.971 1.00 11.54 H new ATOM 0 HB3 PHE A 32 5.308 2.692 -20.045 1.00 11.54 H new ATOM 0 HD1 PHE A 32 3.863 1.564 -23.263 1.00 40.31 H new ATOM 0 HD2 PHE A 32 4.517 4.861 -20.648 1.00 1.23 H new ATOM 0 HE1 PHE A 32 2.301 2.921 -24.588 1.00 12.25 H new ATOM 0 HE2 PHE A 32 2.955 6.222 -21.969 1.00 34.41 H new ATOM 0 HZ PHE A 32 1.845 5.254 -23.943 1.00 42.44 H new ATOM 509 N ILE A 33 6.852 4.406 -22.692 1.00 71.54 N ATOM 510 CA ILE A 33 7.351 5.765 -22.854 1.00 42.31 C ATOM 511 C ILE A 33 6.649 6.726 -21.901 1.00 33.13 C ATOM 512 O ILE A 33 5.463 7.019 -22.060 1.00 23.34 O ATOM 513 CB ILE A 33 7.165 6.266 -24.299 1.00 33.53 C ATOM 514 CG1 ILE A 33 7.624 5.199 -25.294 1.00 65.44 C ATOM 515 CG2 ILE A 33 7.930 7.563 -24.513 1.00 61.21 C ATOM 516 CD1 ILE A 33 6.484 4.501 -26.002 1.00 30.10 C ATOM 0 H ILE A 33 6.173 4.119 -23.397 1.00 71.54 H new ATOM 0 HA ILE A 33 8.416 5.739 -22.622 1.00 42.31 H new ATOM 0 HB ILE A 33 6.106 6.461 -24.467 1.00 33.53 H new ATOM 0 HG12 ILE A 33 8.273 5.662 -26.037 1.00 65.44 H new ATOM 0 HG13 ILE A 33 8.223 4.456 -24.767 1.00 65.44 H new ATOM 0 HG21 ILE A 33 7.788 7.904 -25.539 1.00 61.21 H new ATOM 0 HG22 ILE A 33 7.559 8.322 -23.824 1.00 61.21 H new ATOM 0 HG23 ILE A 33 8.991 7.394 -24.330 1.00 61.21 H new ATOM 0 HD11 ILE A 33 6.884 3.758 -26.692 1.00 30.10 H new ATOM 0 HD12 ILE A 33 5.847 4.008 -25.268 1.00 30.10 H new ATOM 0 HD13 ILE A 33 5.898 5.233 -26.558 1.00 30.10 H new ATOM 528 N TYR A 34 7.388 7.215 -20.911 1.00 71.32 N ATOM 529 CA TYR A 34 6.836 8.143 -19.931 1.00 70.52 C ATOM 530 C TYR A 34 7.014 9.587 -20.388 1.00 52.22 C ATOM 531 O TYR A 34 7.829 9.878 -21.263 1.00 32.13 O ATOM 532 CB TYR A 34 7.507 7.940 -18.572 1.00 31.34 C ATOM 533 CG TYR A 34 6.816 8.668 -17.441 1.00 1.11 C ATOM 534 CD1 TYR A 34 5.513 8.351 -17.078 1.00 20.44 C ATOM 535 CD2 TYR A 34 7.466 9.674 -16.737 1.00 12.15 C ATOM 536 CE1 TYR A 34 4.877 9.014 -16.046 1.00 25.24 C ATOM 537 CE2 TYR A 34 6.839 10.341 -15.702 1.00 54.53 C ATOM 538 CZ TYR A 34 5.545 10.008 -15.361 1.00 34.12 C ATOM 539 OH TYR A 34 4.916 10.671 -14.332 1.00 51.41 O ATOM 0 H TYR A 34 8.371 6.984 -20.766 1.00 71.32 H new ATOM 0 HA TYR A 34 5.769 7.940 -19.836 1.00 70.52 H new ATOM 0 HB2 TYR A 34 7.533 6.874 -18.345 1.00 31.34 H new ATOM 0 HB3 TYR A 34 8.541 8.279 -18.633 1.00 31.34 H new ATOM 0 HD1 TYR A 34 4.988 7.573 -17.612 1.00 20.44 H new ATOM 0 HD2 TYR A 34 8.479 9.939 -17.003 1.00 12.15 H new ATOM 0 HE1 TYR A 34 3.863 8.756 -15.777 1.00 25.24 H new ATOM 0 HE2 TYR A 34 7.359 11.119 -15.163 1.00 54.53 H new ATOM 0 HH TYR A 34 5.524 11.340 -13.954 1.00 51.41 H new ATOM 549 N GLY A 35 6.244 10.490 -19.788 1.00 52.01 N ATOM 550 CA GLY A 35 6.331 11.894 -20.145 1.00 73.01 C ATOM 551 C GLY A 35 6.590 12.782 -18.945 1.00 10.53 C ATOM 552 O GLY A 35 6.796 12.294 -17.835 1.00 24.32 O ATOM 0 H GLY A 35 5.562 10.274 -19.061 1.00 52.01 H new ATOM 0 HA2 GLY A 35 7.130 12.032 -20.874 1.00 73.01 H new ATOM 0 HA3 GLY A 35 5.403 12.201 -20.627 1.00 73.01 H new ATOM 556 N GLY A 36 6.581 14.093 -19.167 1.00 40.44 N ATOM 557 CA GLY A 36 6.820 15.031 -18.086 1.00 42.21 C ATOM 558 C GLY A 36 5.625 15.171 -17.165 1.00 14.11 C ATOM 559 O GLY A 36 5.752 15.652 -16.039 1.00 21.33 O ATOM 0 H GLY A 36 6.412 14.522 -20.077 1.00 40.44 H new ATOM 0 HA2 GLY A 36 7.684 14.702 -17.508 1.00 42.21 H new ATOM 0 HA3 GLY A 36 7.069 16.006 -18.504 1.00 42.21 H new ATOM 563 N VAL A 37 4.458 14.752 -17.644 1.00 72.52 N ATOM 564 CA VAL A 37 3.234 14.833 -16.856 1.00 72.12 C ATOM 565 C VAL A 37 3.140 13.678 -15.865 1.00 43.04 C ATOM 566 O VAL A 37 3.398 12.526 -16.212 1.00 44.22 O ATOM 567 CB VAL A 37 1.985 14.824 -17.757 1.00 54.32 C ATOM 568 CG1 VAL A 37 0.718 14.818 -16.914 1.00 43.15 C ATOM 569 CG2 VAL A 37 2.001 16.017 -18.701 1.00 71.02 C ATOM 0 H VAL A 37 4.335 14.353 -18.574 1.00 72.52 H new ATOM 0 HA VAL A 37 3.272 15.775 -16.309 1.00 72.12 H new ATOM 0 HB VAL A 37 1.998 13.914 -18.357 1.00 54.32 H new ATOM 0 HG11 VAL A 37 -0.154 14.812 -17.568 1.00 43.15 H new ATOM 0 HG12 VAL A 37 0.705 13.929 -16.283 1.00 43.15 H new ATOM 0 HG13 VAL A 37 0.694 15.709 -16.286 1.00 43.15 H new ATOM 0 HG21 VAL A 37 1.111 15.995 -19.330 1.00 71.02 H new ATOM 0 HG22 VAL A 37 2.012 16.940 -18.121 1.00 71.02 H new ATOM 0 HG23 VAL A 37 2.891 15.972 -19.329 1.00 71.02 H new ATOM 579 N GLY A 38 2.769 13.995 -14.629 1.00 34.14 N ATOM 580 CA GLY A 38 2.647 12.973 -13.606 1.00 20.33 C ATOM 581 C GLY A 38 1.661 11.886 -13.986 1.00 51.21 C ATOM 582 O GLY A 38 0.453 12.048 -13.819 1.00 51.30 O ATOM 0 H GLY A 38 2.551 14.941 -14.317 1.00 34.14 H new ATOM 0 HA2 GLY A 38 3.624 12.526 -13.426 1.00 20.33 H new ATOM 0 HA3 GLY A 38 2.331 13.435 -12.671 1.00 20.33 H new ATOM 586 N GLY A 39 2.177 10.774 -14.501 1.00 50.35 N ATOM 587 CA GLY A 39 1.319 9.674 -14.900 1.00 62.15 C ATOM 588 C GLY A 39 1.506 8.448 -14.029 1.00 63.44 C ATOM 589 O GLY A 39 2.587 7.862 -13.995 1.00 64.31 O ATOM 0 H GLY A 39 3.174 10.616 -14.649 1.00 50.35 H new ATOM 0 HA2 GLY A 39 0.278 9.994 -14.853 1.00 62.15 H new ATOM 0 HA3 GLY A 39 1.526 9.414 -15.938 1.00 62.15 H new ATOM 593 N ASN A 40 0.450 8.059 -13.322 1.00 41.41 N ATOM 594 CA ASN A 40 0.504 6.896 -12.444 1.00 72.25 C ATOM 595 C ASN A 40 1.736 6.948 -11.546 1.00 13.41 C ATOM 596 O ASN A 40 2.396 7.982 -11.440 1.00 53.01 O ATOM 597 CB ASN A 40 0.516 5.608 -13.271 1.00 0.03 C ATOM 598 CG ASN A 40 0.418 5.876 -14.760 1.00 61.22 C ATOM 599 OD1 ASN A 40 -0.586 6.400 -15.243 1.00 64.02 O ATOM 600 ND2 ASN A 40 1.463 5.516 -15.496 1.00 24.42 N ATOM 0 H ASN A 40 -0.453 8.532 -13.340 1.00 41.41 H new ATOM 0 HA ASN A 40 -0.384 6.907 -11.812 1.00 72.25 H new ATOM 0 HB2 ASN A 40 1.432 5.055 -13.064 1.00 0.03 H new ATOM 0 HB3 ASN A 40 -0.316 4.974 -12.963 1.00 0.03 H new ATOM 0 HD21 ASN A 40 1.454 5.671 -16.504 1.00 24.42 H new ATOM 0 HD22 ASN A 40 2.274 5.085 -15.053 1.00 24.42 H new ATOM 607 N SER A 41 2.039 5.826 -10.901 1.00 45.51 N ATOM 608 CA SER A 41 3.190 5.745 -10.009 1.00 41.20 C ATOM 609 C SER A 41 4.005 4.486 -10.287 1.00 60.30 C ATOM 610 O SER A 41 4.857 4.096 -9.490 1.00 0.23 O ATOM 611 CB SER A 41 2.732 5.758 -8.549 1.00 42.23 C ATOM 612 OG SER A 41 3.758 6.239 -7.697 1.00 73.44 O ATOM 0 H SER A 41 1.504 4.961 -10.979 1.00 45.51 H new ATOM 0 HA SER A 41 3.822 6.614 -10.192 1.00 41.20 H new ATOM 0 HB2 SER A 41 1.847 6.386 -8.448 1.00 42.23 H new ATOM 0 HB3 SER A 41 2.445 4.751 -8.246 1.00 42.23 H new ATOM 0 HG SER A 41 4.596 5.772 -7.898 1.00 73.44 H new ATOM 618 N ASN A 42 3.736 3.854 -11.425 1.00 30.52 N ATOM 619 CA ASN A 42 4.443 2.637 -11.809 1.00 42.41 C ATOM 620 C ASN A 42 5.702 2.969 -12.606 1.00 33.44 C ATOM 621 O ASN A 42 6.658 2.195 -12.625 1.00 32.22 O ATOM 622 CB ASN A 42 3.528 1.730 -12.634 1.00 25.42 C ATOM 623 CG ASN A 42 3.486 0.311 -12.098 1.00 41.43 C ATOM 624 OD1 ASN A 42 2.421 -0.300 -12.011 1.00 51.43 O ATOM 625 ND2 ASN A 42 4.648 -0.219 -11.736 1.00 4.00 N ATOM 0 H ASN A 42 3.034 4.164 -12.097 1.00 30.52 H new ATOM 0 HA ASN A 42 4.737 2.114 -10.899 1.00 42.41 H new ATOM 0 HB2 ASN A 42 2.520 2.144 -12.639 1.00 25.42 H new ATOM 0 HB3 ASN A 42 3.872 1.715 -13.668 1.00 25.42 H new ATOM 0 HD21 ASN A 42 4.682 -1.170 -11.368 1.00 4.00 H new ATOM 0 HD22 ASN A 42 5.506 0.325 -11.826 1.00 4.00 H new ATOM 632 N ASN A 43 5.693 4.125 -13.261 1.00 62.33 N ATOM 633 CA ASN A 43 6.834 4.559 -14.060 1.00 32.04 C ATOM 634 C ASN A 43 8.087 4.680 -13.197 1.00 72.35 C ATOM 635 O ASN A 43 8.060 5.285 -12.126 1.00 31.14 O ATOM 636 CB ASN A 43 6.532 5.900 -14.731 1.00 11.31 C ATOM 637 CG ASN A 43 6.906 7.082 -13.857 1.00 31.45 C ATOM 638 OD1 ASN A 43 6.098 7.558 -13.059 1.00 23.24 O ATOM 639 ND2 ASN A 43 8.136 7.560 -14.004 1.00 13.44 N ATOM 0 H ASN A 43 4.909 4.778 -13.255 1.00 62.33 H new ATOM 0 HA ASN A 43 7.015 3.808 -14.829 1.00 32.04 H new ATOM 0 HB2 ASN A 43 7.076 5.962 -15.673 1.00 11.31 H new ATOM 0 HB3 ASN A 43 5.470 5.952 -14.972 1.00 11.31 H new ATOM 0 HD21 ASN A 43 8.445 8.354 -13.443 1.00 13.44 H new ATOM 0 HD22 ASN A 43 8.772 7.133 -14.678 1.00 13.44 H new ATOM 646 N PHE A 44 9.184 4.100 -13.673 1.00 52.13 N ATOM 647 CA PHE A 44 10.447 4.142 -12.946 1.00 43.15 C ATOM 648 C PHE A 44 11.624 4.279 -13.908 1.00 71.24 C ATOM 649 O PHE A 44 11.770 3.492 -14.845 1.00 32.01 O ATOM 650 CB PHE A 44 10.613 2.881 -12.096 1.00 61.22 C ATOM 651 CG PHE A 44 10.202 3.065 -10.664 1.00 15.35 C ATOM 652 CD1 PHE A 44 8.863 3.165 -10.321 1.00 32.43 C ATOM 653 CD2 PHE A 44 11.154 3.140 -9.660 1.00 14.04 C ATOM 654 CE1 PHE A 44 8.481 3.334 -9.003 1.00 54.12 C ATOM 655 CE2 PHE A 44 10.777 3.309 -8.341 1.00 25.05 C ATOM 656 CZ PHE A 44 9.439 3.407 -8.012 1.00 45.40 C ATOM 0 H PHE A 44 9.224 3.596 -14.559 1.00 52.13 H new ATOM 0 HA PHE A 44 10.432 5.013 -12.291 1.00 43.15 H new ATOM 0 HB2 PHE A 44 10.022 2.077 -12.535 1.00 61.22 H new ATOM 0 HB3 PHE A 44 11.656 2.565 -12.129 1.00 61.22 H new ATOM 0 HD1 PHE A 44 8.109 3.110 -11.092 1.00 32.43 H new ATOM 0 HD2 PHE A 44 12.202 3.066 -9.911 1.00 14.04 H new ATOM 0 HE1 PHE A 44 7.434 3.409 -8.749 1.00 54.12 H new ATOM 0 HE2 PHE A 44 11.529 3.364 -7.567 1.00 25.05 H new ATOM 0 HZ PHE A 44 9.143 3.540 -6.982 1.00 45.40 H new ATOM 666 N LEU A 45 12.460 5.283 -13.671 1.00 44.12 N ATOM 667 CA LEU A 45 13.625 5.525 -14.516 1.00 72.21 C ATOM 668 C LEU A 45 14.709 4.483 -14.260 1.00 60.11 C ATOM 669 O LEU A 45 15.778 4.519 -14.871 1.00 55.04 O ATOM 670 CB LEU A 45 14.180 6.928 -14.264 1.00 60.31 C ATOM 671 CG LEU A 45 13.247 8.090 -14.604 1.00 54.12 C ATOM 672 CD1 LEU A 45 12.304 8.374 -13.445 1.00 52.33 C ATOM 673 CD2 LEU A 45 14.050 9.333 -14.958 1.00 12.20 C ATOM 0 H LEU A 45 12.354 5.943 -12.901 1.00 44.12 H new ATOM 0 HA LEU A 45 13.311 5.447 -15.557 1.00 72.21 H new ATOM 0 HB2 LEU A 45 14.455 7.005 -13.212 1.00 60.31 H new ATOM 0 HB3 LEU A 45 15.097 7.043 -14.842 1.00 60.31 H new ATOM 0 HG LEU A 45 12.649 7.809 -15.471 1.00 54.12 H new ATOM 0 HD11 LEU A 45 11.647 9.204 -13.705 1.00 52.33 H new ATOM 0 HD12 LEU A 45 11.704 7.488 -13.239 1.00 52.33 H new ATOM 0 HD13 LEU A 45 12.884 8.634 -12.559 1.00 52.33 H new ATOM 0 HD21 LEU A 45 13.369 10.150 -15.197 1.00 12.20 H new ATOM 0 HD22 LEU A 45 14.674 9.617 -14.110 1.00 12.20 H new ATOM 0 HD23 LEU A 45 14.683 9.124 -15.820 1.00 12.20 H new ATOM 685 N THR A 46 14.426 3.553 -13.353 1.00 64.44 N ATOM 686 CA THR A 46 15.376 2.500 -13.017 1.00 63.41 C ATOM 687 C THR A 46 14.842 1.129 -13.416 1.00 72.04 C ATOM 688 O THR A 46 13.634 0.939 -13.557 1.00 35.34 O ATOM 689 CB THR A 46 15.698 2.494 -11.511 1.00 22.52 C ATOM 690 OG1 THR A 46 14.693 3.218 -10.792 1.00 64.22 O ATOM 691 CG2 THR A 46 17.063 3.112 -11.247 1.00 32.24 C ATOM 0 H THR A 46 13.547 3.508 -12.838 1.00 64.44 H new ATOM 0 HA THR A 46 16.288 2.708 -13.576 1.00 63.41 H new ATOM 0 HB THR A 46 15.713 1.459 -11.169 1.00 22.52 H new ATOM 0 HG1 THR A 46 15.115 3.749 -10.085 1.00 64.22 H new ATOM 0 HG21 THR A 46 17.268 3.097 -10.177 1.00 32.24 H new ATOM 0 HG22 THR A 46 17.829 2.541 -11.772 1.00 32.24 H new ATOM 0 HG23 THR A 46 17.071 4.142 -11.603 1.00 32.24 H new ATOM 699 N LYS A 47 15.749 0.175 -13.598 1.00 40.30 N ATOM 700 CA LYS A 47 15.369 -1.180 -13.980 1.00 5.25 C ATOM 701 C LYS A 47 15.022 -2.014 -12.751 1.00 15.34 C ATOM 702 O LYS A 47 13.852 -2.293 -12.491 1.00 32.24 O ATOM 703 CB LYS A 47 16.504 -1.849 -14.759 1.00 20.15 C ATOM 704 CG LYS A 47 16.373 -3.360 -14.846 1.00 3.21 C ATOM 705 CD LYS A 47 16.740 -3.872 -16.229 1.00 33.23 C ATOM 706 CE LYS A 47 17.959 -4.780 -16.182 1.00 32.54 C ATOM 707 NZ LYS A 47 17.901 -5.841 -17.225 1.00 72.13 N ATOM 0 H LYS A 47 16.753 0.315 -13.487 1.00 40.30 H new ATOM 0 HA LYS A 47 14.486 -1.118 -14.617 1.00 5.25 H new ATOM 0 HB2 LYS A 47 16.534 -1.436 -15.767 1.00 20.15 H new ATOM 0 HB3 LYS A 47 17.454 -1.602 -14.285 1.00 20.15 H new ATOM 0 HG2 LYS A 47 17.019 -3.826 -14.101 1.00 3.21 H new ATOM 0 HG3 LYS A 47 15.350 -3.652 -14.608 1.00 3.21 H new ATOM 0 HD2 LYS A 47 15.896 -4.416 -16.652 1.00 33.23 H new ATOM 0 HD3 LYS A 47 16.939 -3.028 -16.890 1.00 33.23 H new ATOM 0 HE2 LYS A 47 18.861 -4.184 -16.320 1.00 32.54 H new ATOM 0 HE3 LYS A 47 18.030 -5.242 -15.197 1.00 32.54 H new ATOM 0 HZ1 LYS A 47 18.750 -6.439 -17.160 1.00 72.13 H new ATOM 0 HZ2 LYS A 47 17.054 -6.426 -17.079 1.00 72.13 H new ATOM 0 HZ3 LYS A 47 17.859 -5.401 -18.166 1.00 72.13 H new ATOM 721 N GLU A 48 16.045 -2.406 -11.998 1.00 72.42 N ATOM 722 CA GLU A 48 15.845 -3.208 -10.796 1.00 42.34 C ATOM 723 C GLU A 48 14.747 -2.611 -9.921 1.00 4.34 C ATOM 724 O GLU A 48 13.899 -3.330 -9.394 1.00 34.31 O ATOM 725 CB GLU A 48 17.149 -3.309 -10.002 1.00 13.55 C ATOM 726 CG GLU A 48 17.784 -4.688 -10.047 1.00 2.01 C ATOM 727 CD GLU A 48 18.577 -5.007 -8.794 1.00 53.31 C ATOM 728 OE1 GLU A 48 19.642 -4.388 -8.592 1.00 64.31 O ATOM 729 OE2 GLU A 48 18.130 -5.875 -8.015 1.00 62.13 O ATOM 0 H GLU A 48 17.020 -2.182 -12.199 1.00 72.42 H new ATOM 0 HA GLU A 48 15.537 -4.208 -11.103 1.00 42.34 H new ATOM 0 HB2 GLU A 48 17.859 -2.579 -10.391 1.00 13.55 H new ATOM 0 HB3 GLU A 48 16.954 -3.042 -8.963 1.00 13.55 H new ATOM 0 HG2 GLU A 48 17.005 -5.438 -10.180 1.00 2.01 H new ATOM 0 HG3 GLU A 48 18.441 -4.753 -10.914 1.00 2.01 H new ATOM 736 N ASP A 49 14.772 -1.291 -9.769 1.00 72.13 N ATOM 737 CA ASP A 49 13.779 -0.596 -8.958 1.00 61.10 C ATOM 738 C ASP A 49 12.370 -1.072 -9.298 1.00 21.05 C ATOM 739 O ASP A 49 11.503 -1.149 -8.427 1.00 33.51 O ATOM 740 CB ASP A 49 13.885 0.915 -9.168 1.00 51.24 C ATOM 741 CG ASP A 49 15.106 1.509 -8.495 1.00 3.30 C ATOM 742 OD1 ASP A 49 16.189 0.893 -8.579 1.00 23.22 O ATOM 743 OD2 ASP A 49 14.979 2.591 -7.885 1.00 4.31 O ATOM 0 H ASP A 49 15.469 -0.681 -10.197 1.00 72.13 H new ATOM 0 HA ASP A 49 13.977 -0.824 -7.911 1.00 61.10 H new ATOM 0 HB2 ASP A 49 13.923 1.129 -10.236 1.00 51.24 H new ATOM 0 HB3 ASP A 49 12.988 1.397 -8.778 1.00 51.24 H new ATOM 748 N CYS A 50 12.148 -1.389 -10.569 1.00 4.12 N ATOM 749 CA CYS A 50 10.845 -1.856 -11.025 1.00 12.20 C ATOM 750 C CYS A 50 10.276 -2.900 -10.069 1.00 13.25 C ATOM 751 O CYS A 50 9.173 -2.742 -9.544 1.00 74.25 O ATOM 752 CB CYS A 50 10.954 -2.444 -12.433 1.00 65.00 C ATOM 753 SG CYS A 50 9.425 -3.234 -13.030 1.00 25.21 S ATOM 0 H CYS A 50 12.855 -1.331 -11.302 1.00 4.12 H new ATOM 0 HA CYS A 50 10.169 -1.002 -11.047 1.00 12.20 H new ATOM 0 HB2 CYS A 50 11.235 -1.651 -13.126 1.00 65.00 H new ATOM 0 HB3 CYS A 50 11.759 -3.179 -12.447 1.00 65.00 H new ATOM 758 N CYS A 51 11.036 -3.966 -9.845 1.00 61.54 N ATOM 759 CA CYS A 51 10.609 -5.037 -8.953 1.00 24.31 C ATOM 760 C CYS A 51 10.387 -4.510 -7.538 1.00 61.12 C ATOM 761 O CYS A 51 9.482 -4.957 -6.833 1.00 62.13 O ATOM 762 CB CYS A 51 11.650 -6.159 -8.933 1.00 42.54 C ATOM 763 SG CYS A 51 11.384 -7.397 -7.624 1.00 62.24 S ATOM 0 H CYS A 51 11.952 -4.111 -10.269 1.00 61.54 H new ATOM 0 HA CYS A 51 9.665 -5.433 -9.328 1.00 24.31 H new ATOM 0 HB2 CYS A 51 11.645 -6.662 -9.900 1.00 42.54 H new ATOM 0 HB3 CYS A 51 12.640 -5.720 -8.807 1.00 42.54 H new ATOM 768 N ARG A 52 11.219 -3.557 -7.130 1.00 72.14 N ATOM 769 CA ARG A 52 11.114 -2.969 -5.800 1.00 70.53 C ATOM 770 C ARG A 52 9.688 -2.504 -5.522 1.00 53.34 C ATOM 771 O ARG A 52 9.183 -2.650 -4.410 1.00 31.31 O ATOM 772 CB ARG A 52 12.082 -1.793 -5.661 1.00 61.24 C ATOM 773 CG ARG A 52 12.837 -1.778 -4.342 1.00 15.20 C ATOM 774 CD ARG A 52 13.702 -3.018 -4.181 1.00 3.42 C ATOM 775 NE ARG A 52 14.939 -2.731 -3.459 1.00 22.30 N ATOM 776 CZ ARG A 52 15.998 -2.152 -4.015 1.00 75.42 C ATOM 777 NH1 ARG A 52 15.969 -1.800 -5.293 1.00 2.30 N ATOM 778 NH2 ARG A 52 17.087 -1.925 -3.293 1.00 0.12 N ATOM 0 H ARG A 52 11.973 -3.176 -7.701 1.00 72.14 H new ATOM 0 HA ARG A 52 11.377 -3.735 -5.070 1.00 70.53 H new ATOM 0 HB2 ARG A 52 12.800 -1.826 -6.480 1.00 61.24 H new ATOM 0 HB3 ARG A 52 11.525 -0.861 -5.762 1.00 61.24 H new ATOM 0 HG2 ARG A 52 13.463 -0.887 -4.290 1.00 15.20 H new ATOM 0 HG3 ARG A 52 12.128 -1.718 -3.516 1.00 15.20 H new ATOM 0 HD2 ARG A 52 13.141 -3.785 -3.648 1.00 3.42 H new ATOM 0 HD3 ARG A 52 13.941 -3.423 -5.164 1.00 3.42 H new ATOM 0 HE ARG A 52 14.993 -2.989 -2.474 1.00 22.30 H new ATOM 0 HH11 ARG A 52 15.133 -1.974 -5.851 1.00 2.30 H new ATOM 0 HH12 ARG A 52 16.783 -1.356 -5.718 1.00 2.30 H new ATOM 0 HH21 ARG A 52 17.112 -2.195 -2.310 1.00 0.12 H new ATOM 0 HH22 ARG A 52 17.899 -1.481 -3.721 1.00 0.12 H new ATOM 792 N GLU A 53 9.045 -1.942 -6.542 1.00 10.25 N ATOM 793 CA GLU A 53 7.678 -1.454 -6.406 1.00 13.44 C ATOM 794 C GLU A 53 6.776 -2.523 -5.795 1.00 4.12 C ATOM 795 O GLU A 53 5.921 -2.227 -4.960 1.00 31.21 O ATOM 796 CB GLU A 53 7.128 -1.025 -7.768 1.00 11.24 C ATOM 797 CG GLU A 53 6.805 0.457 -7.854 1.00 44.55 C ATOM 798 CD GLU A 53 5.988 0.806 -9.084 1.00 23.35 C ATOM 799 OE1 GLU A 53 6.591 1.000 -10.160 1.00 71.53 O ATOM 800 OE2 GLU A 53 4.747 0.885 -8.969 1.00 65.50 O ATOM 0 H GLU A 53 9.449 -1.814 -7.470 1.00 10.25 H new ATOM 0 HA GLU A 53 7.693 -0.591 -5.740 1.00 13.44 H new ATOM 0 HB2 GLU A 53 7.856 -1.275 -8.540 1.00 11.24 H new ATOM 0 HB3 GLU A 53 6.226 -1.598 -7.983 1.00 11.24 H new ATOM 0 HG2 GLU A 53 6.257 0.758 -6.961 1.00 44.55 H new ATOM 0 HG3 GLU A 53 7.734 1.027 -7.865 1.00 44.55 H new ATOM 807 N CYS A 54 6.974 -3.767 -6.218 1.00 22.05 N ATOM 808 CA CYS A 54 6.180 -4.881 -5.715 1.00 21.45 C ATOM 809 C CYS A 54 6.976 -5.704 -4.705 1.00 73.55 C ATOM 810 O CYS A 54 6.416 -6.528 -3.982 1.00 3.43 O ATOM 811 CB CYS A 54 5.725 -5.774 -6.871 1.00 50.41 C ATOM 812 SG CYS A 54 3.932 -5.723 -7.188 1.00 33.32 S ATOM 0 H CYS A 54 7.678 -4.029 -6.908 1.00 22.05 H new ATOM 0 HA CYS A 54 5.303 -4.472 -5.214 1.00 21.45 H new ATOM 0 HB2 CYS A 54 6.252 -5.474 -7.777 1.00 50.41 H new ATOM 0 HB3 CYS A 54 6.016 -6.803 -6.658 1.00 50.41 H new ATOM 817 N ALA A 55 8.284 -5.475 -4.664 1.00 22.32 N ATOM 818 CA ALA A 55 9.156 -6.193 -3.743 1.00 25.13 C ATOM 819 C ALA A 55 8.792 -5.891 -2.293 1.00 73.12 C ATOM 820 O ALA A 55 9.215 -6.597 -1.378 1.00 15.21 O ATOM 821 CB ALA A 55 10.612 -5.837 -4.008 1.00 13.20 C ATOM 0 H ALA A 55 8.763 -4.798 -5.258 1.00 22.32 H new ATOM 0 HA ALA A 55 9.018 -7.261 -3.910 1.00 25.13 H new ATOM 0 HB1 ALA A 55 11.252 -6.381 -3.313 1.00 13.20 H new ATOM 0 HB2 ALA A 55 10.873 -6.110 -5.031 1.00 13.20 H new ATOM 0 HB3 ALA A 55 10.755 -4.765 -3.871 1.00 13.20 H new ATOM 827 N GLN A 56 8.005 -4.838 -2.093 1.00 25.43 N ATOM 828 CA GLN A 56 7.586 -4.443 -0.753 1.00 73.24 C ATOM 829 C GLN A 56 6.633 -5.473 -0.156 1.00 13.14 C ATOM 830 O GLN A 56 6.567 -5.640 1.062 1.00 52.54 O ATOM 831 CB GLN A 56 6.913 -3.070 -0.791 1.00 41.24 C ATOM 832 CG GLN A 56 7.826 -1.959 -1.284 1.00 1.30 C ATOM 833 CD GLN A 56 9.102 -1.849 -0.473 1.00 21.12 C ATOM 834 OE1 GLN A 56 10.126 -2.437 -0.822 1.00 50.03 O ATOM 835 NE2 GLN A 56 9.048 -1.093 0.618 1.00 75.33 N ATOM 0 H GLN A 56 7.645 -4.244 -2.840 1.00 25.43 H new ATOM 0 HA GLN A 56 8.474 -4.388 -0.123 1.00 73.24 H new ATOM 0 HB2 GLN A 56 6.036 -3.122 -1.437 1.00 41.24 H new ATOM 0 HB3 GLN A 56 6.558 -2.821 0.209 1.00 41.24 H new ATOM 0 HG2 GLN A 56 8.079 -2.138 -2.329 1.00 1.30 H new ATOM 0 HG3 GLN A 56 7.291 -1.010 -1.244 1.00 1.30 H new ATOM 0 HE21 GLN A 56 8.178 -0.623 0.870 1.00 75.33 H new ATOM 0 HE22 GLN A 56 9.876 -0.982 1.203 1.00 75.33 H new ATOM 844 N GLY A 57 5.895 -6.162 -1.021 1.00 14.21 N ATOM 845 CA GLY A 57 4.954 -7.166 -0.559 1.00 65.32 C ATOM 846 C GLY A 57 4.495 -8.086 -1.673 1.00 41.12 C ATOM 847 O GLY A 57 3.302 -8.352 -1.815 1.00 53.14 O ATOM 0 H GLY A 57 5.932 -6.043 -2.033 1.00 14.21 H new ATOM 0 HA2 GLY A 57 5.418 -7.759 0.230 1.00 65.32 H new ATOM 0 HA3 GLY A 57 4.087 -6.672 -0.119 1.00 65.32 H new ATOM 851 N SER A 58 5.444 -8.572 -2.467 1.00 4.23 N ATOM 852 CA SER A 58 5.130 -9.463 -3.578 1.00 2.34 C ATOM 853 C SER A 58 6.403 -9.918 -4.285 1.00 73.22 C ATOM 854 O SER A 58 6.796 -11.081 -4.193 1.00 60.51 O ATOM 855 CB SER A 58 4.202 -8.764 -4.573 1.00 10.43 C ATOM 856 OG SER A 58 3.307 -9.686 -5.170 1.00 63.01 O ATOM 0 H SER A 58 6.437 -8.364 -2.361 1.00 4.23 H new ATOM 0 HA SER A 58 4.624 -10.341 -3.176 1.00 2.34 H new ATOM 0 HB2 SER A 58 3.638 -7.983 -4.062 1.00 10.43 H new ATOM 0 HB3 SER A 58 4.795 -8.275 -5.346 1.00 10.43 H new ATOM 0 HG SER A 58 2.420 -9.276 -5.250 1.00 63.01 H new ATOM 862 N CYS A 59 7.043 -8.993 -4.992 1.00 54.22 N ATOM 863 CA CYS A 59 8.270 -9.297 -5.717 1.00 5.30 C ATOM 864 C CYS A 59 9.418 -9.573 -4.750 1.00 65.03 C ATOM 865 O CYS A 59 10.251 -10.447 -4.994 1.00 34.14 O ATOM 866 CB CYS A 59 8.639 -8.138 -6.646 1.00 21.30 C ATOM 867 SG CYS A 59 9.841 -8.578 -7.942 1.00 72.54 S ATOM 0 H CYS A 59 6.731 -8.026 -5.078 1.00 54.22 H new ATOM 0 HA CYS A 59 8.097 -10.192 -6.315 1.00 5.30 H new ATOM 0 HB2 CYS A 59 7.732 -7.763 -7.119 1.00 21.30 H new ATOM 0 HB3 CYS A 59 9.047 -7.323 -6.048 1.00 21.30 H new TER 872 CYS A 59